methyl (E,3R)-3-[(2-methylpropan-2-yl)oxycarbonyl-[(1R)-1-phenylethyl]amino]hept-5-enoate

Systemtic Name: methyl (E,3R)-3-[(2-methylpropan-2-yl)oxycarbonyl-[(1R)-1-phenylethyl]amino]hept-5-enoate Openeye Name: methyl (E,3R)-3-[tert-butoxycarbonyl-[(1R)-1-phenylethyl]amino]hept-5-enoate CAS Name: (E,3R)-3-[[(2-methylpropan-2-yl)oxy-oxomethyl]-[(1R)-1-phenylethyl]amino]-5-heptenoic acid methyl ester IUPAC Name: methyl (E,3R)-3-[(2-methylpropan-2-yl)oxycarbonyl-[(1R)-1-phenylethyl]amino]hept-5-enoate Traditional Name: (E,3R)-3-[tert-butoxycarbonyl-[(1R)-1-phenylethyl]amino]hept-5-enoic acid methyl ester Formula: C21H31NO4 MolecularWeight: 361.47514

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC=CCC(CC(=O)OC)N(C(C)C1=CC=CC=C1)C(=O)OC(C)(C)C

Isomeric SMILES

C/C=C/C[C@H](CC(=O)OC)N([C@H](C)C1=CC=CC=C1)C(=O)OC(C)(C)C

InChI

InChI=1S/C21H31NO4/c1-7-8-14-18(15-19(23)25-6)22(20(24)26-21(3,4)5)16(2)17-12-10-9-11-13-17/h7-13,16,18H,14-15H2,1-6H3/b8-7+/t16-,18-/m1/s1